# generated using pymatgen
data_Ti4Nb2Si2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74079287
_cell_length_b   6.74373128
_cell_length_c   3.39141131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01442235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Nb2Si2B
_chemical_formula_sum   'Ti4 Nb2 Si2 B1'
_cell_volume   133.49321763
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.23690180  0.99786579  0.50000000  1.0
  Ti  Ti1  1  0.76309820  0.76096500  0.50000000  1.0
  Ti  Ti2  1  0.00000000  0.24005914  0.50000000  1.0
  Ti  Ti3  1  1.00000000  0.59623363  0.00000000  1.0
  Nb  Nb4  1  0.59734497  0.00013137  0.00000000  1.0
  Nb  Nb5  1  0.40265503  0.40278640  0.00000000  1.0
  Si  Si6  1  0.33126129  0.66568002  0.50000000  1.0
  Si  Si7  1  0.66873871  0.33441773  0.50000000  1.0
  B  B8  1  1.00000000  0.00186192  0.00000000  1.0